Related papers: Extracting convergent surface energies from slab c…
We present a unified framework for the calculation of defect energies for those defects that can be represented as a superposition of isolated dislocations, and obtain both self and interaction energies of combinations of grain boundaries…
A collisionless plasma possesses a certain amount of "available energy", which is that part of the thermal energy that can be converted into field energy. Here, a calculation is presented of the available energy carried by trapped electrons…
Using combinatorial methods, we derive several formulas for the volume of convex bodies obtained by intersecting a unit hypercube with a halfspace, or with a hyperplane of codimension 1, or with a flat defined by two parallel hyperplanes.…
The isoscalar and isovector particle densities and the surface tension coefficients at the average binding energy are used to derive analytical expressions of the neutron skin thickness and the isovector stiffness of sharp edged…
Based on the Skyrme energy density functional, the spatial distribution of the symmetry energy of a finite nucleus is derived in order to examine whether the symmetry energy of a finite nucleus originates from its interior or from its…
The structure and energetics of the free surface of superfluid $^4$He are studied using the diffusion Monte Carlo method. Extending a previous calculation by Vall\'es and Schmidt, which used the Green's function Monte Carlo method, we study…
We offer an insight into our mathematical endeavors, which aim to advance the foundational understanding of energy systems in a broad context, encompassing facets such as charge transport, energy storage, markets, and collective behavior.…
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…
The release of a gas limited by surface desorption, or by diffusion from the bulk of spherical pebbles is revisited. A method is proposed to identify the release limiting process, by comparing a partial temperature ramp, up to slightly…
Surface elasticity is central to understanding the mechanics and stability of surfaces and interfaces. It is characterized by quantities such as surface tension, residual surface stress, and surface stiffness, however their analytical…
Motivated by classical vortex blob methods for the Euler equations, we develop a numerical blob method for the aggregation equation. This provides a counterpoint to existing literature on particle methods. By regularizing the velocity field…
The choice of elastic energies for thin plates and shells is an unsettled issue with consequences for much recent modeling of soft matter. Through consideration of simple deformations of a thin body in the plane, we demonstrate that four…
The difference between free surface energy and fracture toughness in amorphous silica is studied via multi-scale simulations. We combine the homogenization of a molecular dynamics fracture model with a phase-field approach to track and…
Empirically determined values of the nuclear volume and surface symmetry energy coefficients from nuclear masses are expressed in terms of density distributions of nucleons in heavy nuclei in the local density approximation. This is then…
In order to predict the potential energy surface (PES) from measured structure in equilibrium state, one should typically perform trial-and-error statistical thermodynamic simulation with assumed multibody interactions. Very recently, we…
We suggest the procedure of direct derivation of the symmetry energy from the shift of neutron-proton chemical potentials \Delta\lambda=\lambda_{n}- \lambda_{p} for nuclei beyond the beta-stability line. We observe the presence of anomalous…
We present experimental and theoretical work showing that a flat metallic slab can collimate and focus light impinging on the slab from a punctual source. The effect is optimised when the radiation is around the bulk, not at the surface,…
Although free electron models have been established in order to capture the essential physics of interfacial and bulk properties in metals, some issues still remain regarding the application of free electron models to thin metal films. One…
The shell correction method is revisited. Contrary to the traditional Strutinsky method, the shell energy is evaluated by an averaging over the number of particles and not over the single-particle energies, which is more consistent with the…
We discuss in detail the Bloch waves method for calculation of energy and orientation dependent scattering cross-section for inelastic scattering of electrons on crystals. Convergence properties are investigated and a new algorithm with…